Information card for entry 4132229

Structure parameters

• Formula: C80 H125 As3 Ga2 N4
• Calculated formula: C68 H97 As3 Ga2 N4
• SMILES: [As]1([As]2[As]1[Ga]12N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Ga]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr₂-C₆H₃]₂}GaAsCp* Containing a Ga═As Double Bond.
• Authors of publication: Helling, Christoph; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 15
• Pages of publication: 5053 - 5056
• a: 12.5436 ± 0.0006 Å
• b: 12.6964 ± 0.0006 Å
• c: 23.2297 ± 0.0011 Å
• α: 101.867 ± 0.002°
• β: 90.763 ± 0.002°
• γ: 100.14 ± 0.002°
• Cell volume: 3559.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No